2-[[2-cyclopropyl-5-[4-(2,3-dihydroxypropanoyl)piperazin-1-yl]-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C28H27F2N7O3S — CID 146267714

About 2-[[2-cyclopropyl-5-[4-(2,3-dihydroxypropanoyl)piperazin-1-yl]-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[2-cyclopropyl-5-[4-(2,3-dihydroxypropanoyl)piperazin-1-yl]-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 146267714) has the molecular formula C28H27F2N7O3S and a molecular weight of 579.63 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-5-[4-(2,3-dihydroxypropanoyl)piperazin-1-yl]-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[[2-cyclopropyl-5-[4-(2,3-dihydroxypropanoyl)piperazin-1-yl]-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 146267714
• Molecular Formula: C28H27F2N7O3S
• Molecular Weight: 579.63 g/mol
• Exact Mass: 579.19
• IUPAC Name: 2-[[2-cyclopropyl-5-[4-(2,3-dihydroxypropanoyl)piperazin-1-yl]-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: CN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c(C2CC2)nn2cc(F)c(N3CCN(C(=O)C(O)CO)CC3)cc12
• InChI: InChI=1S/C28H27F2N7O3S/c1-34(28-32-24(23(13-31)41-28)16-4-6-18(29)7-5-16)26-21-12-20(19(30)14-37(21)33-25(26)17-2-3-17)35-8-10-36(11-9-35)27(40)22(39)15-38/h4-7,12,14,17,22,38-39H,2-3,8-11,15H2,1H3
• InChIKey: JPZWQEXOJWCXNO-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 121.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.63
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-5-[4-(2,3-dihydroxypropanoyl)piperazin-1-yl]-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of 2-[[2-cyclopropyl-5-[4-(2,3-dihydroxypropanoyl)piperazin-1-yl]-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 146267714) is 2-[[2-cyclopropyl-5-[4-(2,3-dihydroxypropanoyl)piperazin-1-yl]-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 2-[[2-cyclopropyl-5-[4-(2,3-dihydroxypropanoyl)piperazin-1-yl]-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 2-[[2-cyclopropyl-5-[4-(2,3-dihydroxypropanoyl)piperazin-1-yl]-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c(C2CC2)nn2cc(F)c(N3CCN(C(=O)C(O)CO)CC3)cc12.

What is the InChIKey of 2-[[2-cyclopropyl-5-[4-(2,3-dihydroxypropanoyl)piperazin-1-yl]-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is JPZWQEXOJWCXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N7O3S/c1-34(28-32-24(23(13-31)41-28)16-4-6-18(29)7-5-16)26-21-12-20(19(30)14-37(21)33-25(26)17-2-3-17)35-8-10-36(11-9-35)27(40)22(39)15-38/h4-7,12,14,17,22,38-39H,2-3,8-11,15H2,1H3.

What are the key properties of 2-[[2-cyclopropyl-5-[4-(2,3-dihydroxypropanoyl)piperazin-1-yl]-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

2-[[2-cyclopropyl-5-[4-(2,3-dihydroxypropanoyl)piperazin-1-yl]-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 579.63 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-cyclopropyl-5-[4-(2,3-dihydroxypropanoyl)piperazin-1-yl]-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 146267714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).